Geometry & MOs

Info

ID:	131335
PubChem CID:	51191647
Reduced:	NOSCl2F2H5C11 (1)
Stoich.:	ABCD2E2F5G11 (1)
Weight, g/mol:	324.074405
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	3.54
IP(EA), eV:	-9.37(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,5-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NC(=O)C2=C(SC(=C2)Cl)Cl)F

DOS

IR

Vibrations